| SpectraBase Compound ID | 13u8BQDB1jq |
|---|---|
| InChI | InChI=1S/C19H12ClNO4/c20-15-7-5-13(6-8-15)18(22)24-16-3-1-2-4-17(16)25-19(23)14-9-11-21-12-10-14/h1-12H |
| InChIKey | UMZHPYQXBXIPMX-UHFFFAOYSA-N |
| Mol Weight | 353.76 g/mol |
| Molecular Formula | C19H12ClNO4 |
| Exact Mass | 353.045486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 69YJtKlNtvZ |
|---|---|
| Name | 1,2-Benzenediol, o-(4-chlorobenzoyl)-o'-isonicotinoyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.045485566 u |
| Formula | C19H12ClNO4 |
| InChI | InChI=1S/C19H12ClNO4/c20-15-7-5-13(6-8-15)18(22)24-16-3-1-2-4-17(16)25-19(23)14-9-11-21-12-10-14/h1-12H |
| InChIKey | UMZHPYQXBXIPMX-UHFFFAOYSA-N |
| Molecular Weight | 353.761 g/mol |
| SMILES | C1(=CC=CC=C1OC(=O)C1=CC=C(C=C1)Cl)OC(C1=CC=NC=C1)=O |